5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine

C17H27NO — CID 79229851

IUPAC5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)CC1COc2ccccc21
InChIInChI=1S/C17H27NO/c1-5-18-13(2)10-17(3,4)11-14-12-19-16-9-7-6-8-15(14)16/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyPNTBZABNESLNAE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

About 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine

5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 79229851) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID79229851
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)CC1COc2ccccc21
InChIInChI=1S/C17H27NO/c1-5-18-13(2)10-17(3,4)11-14-12-19-16-9-7-6-8-15(14)16/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyPNTBZABNESLNAE-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
CID 106507820
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 79229851) is 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)CC1COc2ccccc21.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is PNTBZABNESLNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-13(2)10-17(3,4)11-14-12-19-16-9-7-6-8-15(14)16/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine?
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 79229851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).